(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride

C13H17ClN2O — CID 171218891

IUPAC(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)CN)ccc2c1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7,13H,8,14-15H2,1H3;1H/t13-;/m0./s1
InChIKeyGCEKXHOURCWWCZ-ZOWNYOTGSA-N
MW252.75 g/mol
LogP2.23
Rot. Bonds3

About (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride

(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 171218891) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID171218891
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)CN)ccc2c1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7,13H,8,14-15H2,1H3;1H/t13-;/m0./s1
InChIKeyGCEKXHOURCWWCZ-ZOWNYOTGSA-N
XLogP2.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride (CID 171218891) is (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride is COc1ccc2cc([C@@H](N)CN)ccc2c1.Cl.
What is the InChIKey of (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is GCEKXHOURCWWCZ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7,13H,8,14-15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171218891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).